.gitignore

# Compiled source #
###################
*.com
*.class
*.dll
*.exe
*.o
*.so

# Packages #
############
# it's better to unpack these files and commit the raw source
# git has its own built in compression methods
*.7z
*.dmg
*.gz
*.iso
*.jar
*.rar
*.tar
*.zip

# Logs and databases #
######################
*.log
*.sql
*.sqlite

# OS generated files #
######################
.DS_Store
.DS_Store?
._*
.Spotlight-V100
.Trashes
ehthumbs.db
Thumbs.db

#Large files
*.dcd
*.log
#CHARMM-GUI input
*.inp 
*.err
slurm*
Trash



  
#This is intended as a general purpose .gitignore file that can be added to any general (MD) repository to ignore large files (logs, trajectories, etc.)
#General log files
*.log
*.err
*.out
*slurm*
Trash # Most unix systems lack a "trashcan". Use "git rm --cached undesired.txt" then move undesired files here.


#NAMD trajectories and logs. !restart files are NOT ignored!
*.dcd*
*.old

*.pyc
*.ipynb_checkpoints*
*__pycache__*